2-(3-methylimidazol-4-yl)-5,6-dihydro-4H-1,3-oxazine

C8H11N3O — CID 58983131

IUPAC2-(3-methylimidazol-4-yl)-5,6-dihydro-4H-1,3-oxazine
SMILESCn1cncc1C1=NCCCO1
InChIInChI=1S/C8H11N3O/c1-11-6-9-5-7(11)8-10-3-2-4-12-8/h5-6H,2-4H2,1H3
InChIKeyKXMHONRXNIRXAI-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.59
Rot. Bonds1

About 2-(3-methylimidazol-4-yl)-5,6-dihydro-4H-1,3-oxazine

2-(3-methylimidazol-4-yl)-5,6-dihydro-4H-1,3-oxazine (PubChem CID 58983131) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 2-(3-methylimidazol-4-yl)-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-(3-methylimidazol-4-yl)-5,6-dihydro-4H-1,3-oxazine
PubChem CID58983131
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name2-(3-methylimidazol-4-yl)-5,6-dihydro-4H-1,3-oxazine
SMILESCn1cncc1C1=NCCCO1
InChIInChI=1S/C8H11N3O/c1-11-6-9-5-7(11)8-10-3-2-4-12-8/h5-6H,2-4H2,1H3
InChIKeyKXMHONRXNIRXAI-UHFFFAOYSA-N
XLogP0.59
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylimidazol-4-yl)-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-(3-methylimidazol-4-yl)-5,6-dihydro-4H-1,3-oxazine (CID 58983131) is 2-(3-methylimidazol-4-yl)-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-(3-methylimidazol-4-yl)-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-(3-methylimidazol-4-yl)-5,6-dihydro-4H-1,3-oxazine is Cn1cncc1C1=NCCCO1.
What is the InChIKey of 2-(3-methylimidazol-4-yl)-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is KXMHONRXNIRXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-11-6-9-5-7(11)8-10-3-2-4-12-8/h5-6H,2-4H2,1H3.
What are the key properties of 2-(3-methylimidazol-4-yl)-5,6-dihydro-4H-1,3-oxazine?
2-(3-methylimidazol-4-yl)-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 165.20 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazol-4-yl)-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 58983131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).